(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide

C12H12N2O2 — CID 19183442

IUPAC(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(OC)cc1
InChIInChI=1S/C12H12N2O2/c1-14-12(15)10(8-13)7-9-3-5-11(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)/b10-7-
InChIKeyQZEFTGGHJPATIY-YFHOEESVSA-N
MW216.24 g/mol
LogP1.35
Rot. Bonds3

About (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide

(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 19183442) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID19183442
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(OC)cc1
InChIInChI=1S/C12H12N2O2/c1-14-12(15)10(8-13)7-9-3-5-11(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)/b10-7-
InChIKeyQZEFTGGHJPATIY-YFHOEESVSA-N
XLogP1.35
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
(E)-2-cyano-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 29424540
(E)-N-carbamothioyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 15257743
(E)-2-cyano-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19174354
(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 2133142
(Z)-2-cyano-N-methyl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 47436222
(2Z)-2-[(4-methoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2324707
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 99117795
ethyl N-[2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]carbamate
CID 3903053
(E)-2-cyano-N-(4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19168661
(E)-2-cyano-N-(4,6-dimethoxypyrimidin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1207988
(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 903040

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide (CID 19183442) is (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide is CNC(=O)/C(C#N)=C\c1ccc(OC)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is QZEFTGGHJPATIY-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-12(15)10(8-13)7-9-3-5-11(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)/b10-7-.
What are the key properties of (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide?
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 216.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 19183442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).